2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile

C17H26N2O2 — CID 65344071

IUPAC2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile
SMILESCCC(CC)N(CCOC)Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C17H26N2O2/c1-5-16(6-2)19(9-10-20-3)13-14-7-8-17(21-4)15(11-14)12-18/h7-8,11,16H,5-6,9-10,13H2,1-4H3
InChIKeyIBUODKCFGGAPGM-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.20
Rot. Bonds9

About 2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile

2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile (PubChem CID 65344071) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile
PubChem CID65344071
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile
SMILESCCC(CC)N(CCOC)Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C17H26N2O2/c1-5-16(6-2)19(9-10-20-3)13-14-7-8-17(21-4)15(11-14)12-18/h7-8,11,16H,5-6,9-10,13H2,1-4H3
InChIKeyIBUODKCFGGAPGM-UHFFFAOYSA-N
XLogP3.20
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 65344165
2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile
CID 65343975
2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
CID 65344446
2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82958280
2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82986263
5-[2-(dimethylamino)ethyl]-2-methoxybenzonitrile
CID 117292810
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-methoxyphenol
CID 82986315
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 54942276
4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 106787949
5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
CID 65344348
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile
CID 103760655

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile (CID 65344071) is 2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile is CCC(CC)N(CCOC)Cc1ccc(OC)c(C#N)c1.
What is the InChIKey of 2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile?
The InChIKey is IBUODKCFGGAPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-16(6-2)19(9-10-20-3)13-14-7-8-17(21-4)15(11-14)12-18/h7-8,11,16H,5-6,9-10,13H2,1-4H3.
What are the key properties of 2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile?
2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile has a molecular weight of 290.41 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 65344071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).